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Void distributions reveal structural link between jammed packings and protein cores

Physical Review E 2019年第2期99卷 022416-022416页

作者： John D. Treado Zhe Mei Lynne Regan Corey S. O'Hern Department of Mechanical Engineering & Materials Science Yale University New Haven Connecticut 06520 USA Integrated Graduate Program in Physical & Engineering Biology Yale University New Haven Connecticut 06520 USA Department of Chemistry Yale University New Haven Connecticut 06520 USA Department of Molecular Biophysics & Biochemistry Yale University New Haven Connecticut 06520 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA

Dense packing of hydrophobic residues in the cores of globular proteins determines their stability. Recently, we have shown that protein cores possess packing fraction ϕ≈0.56, which is the same as dense, random packing of amino-acid-shaped particles. In this article, we compare the structural properties of protein cores and jammed packings of amino-acid-shaped particles in much greater depth by measuring their local and connected void regions. We find that the distributions of surface Voronoi cell volumes and local porosities obey similar statistics in both systems. We also measure the probability that accessible, connected void regions percolate as a function of the size of a spherical probe particle and show that both systems possess the same critical probe size. We measure the critical exponent τ that characterizes the size distribution of connected void clusters at the onset of percolation. We find that the cluster size statistics are similar for void percolation in packings of amino-acid-shaped particles and randomly placed spheres, but different from that for void percolation in jammed sphere packings. We propose that the connected void regions are a defining structural feature of proteins and can be used to differentiate experimentally observed proteins from decoy structures that are generated using computational protein design software. This work emphasizes that jammed packings of amino-acid-shaped particles can serve as structural and mechanical analogs of protein cores, and could therefore be useful in modeling the response of protein cores to cavity-expanding and -reducing mutations.

关键词： Jamming Protein structure Packing & jamming problems Proteins Crystal structures Finite-size scaling Molecular dynamics Percolation theory

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Impact of CLAHE-based image enhancement for diabetic retinopathy classification through deep learning

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Procedia Computer Science 2023年 216卷 57-66页

作者： Mira Hayati Kahlil Muchtar Roslidar Novi Maulina Irfan Syamsuddin Gregorius Natanael Elwirehardja Bens Pardamean Department of Electrical and Computer Engineering Universitas Syiah Kuala Banda Aceh 23111 Indonesia Telematics Research Center (TRC) Universitas Syiah Kuala Banda Aceh 23111 Indonesia Faculty of Medicine Universitas Syiah Kuala Banda Aceh 23111 Indonesia Department of Computer and Networking Engineering Politeknik Negeri Ujung Pandang Makassar 90245 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Jakarta 11480 Indonesia Computer Science Department BINUS Graduate Program – Master of Computer Science Program Bina Nusantara University Jakarta 11480 Indonesia

Diabetic retinopathy (DR) is a type of diabetes mellitus that attacks the retina of the eye. DR will cause patients to experience blindness slowly. Generally, DR can be detected by using a special instrument called an ophthalmoscope to view the inside of the eyeball. However, in conditions where there is a very small difference between the normal image and the DR image, computer-based assistance is needed for maximizing image reading value. In this research, a method of image quality improvement will be carried out which will then be integrated with a classification algorithm based on deep learning. The results of image improvement using Contrast Limited Adaptive Histogram Equalization (CLAHE) shows that the average accuracy of the method on several models is very competitive, 91% for the VGG16 model, 95% for InceptionV3, and 97% for EfficientNet compared to the results original image which only has an accuracy of 87% for VGG16 model, 90% for InceptionV3 model, and 95% for EfficientNet. However, in ResNet34 better accuracy is obtained in the original image with an accuracy of 95% while in the CLAHE image the accuracy value is only 84%. The results of this comprehensive evaluation and recommendation of famous backbone networks can be useful in the computer-aided diagnosis of diabetic retinopathy.

关键词： Diabetic retinopathy Deep Learning CNN Image Enhancement CLAHE

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CryoEM structure of yeast cytoplasmic exosome complex

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细胞研究（英文版） 2016年第7期26卷 822-837页

作者： Jun-Jie Liu Chu-Ya Niu Yao Wu Dan Tan Yang Wang Ming-Da Ye Yang Liu Ministry of Education Key Laboratory of Protein Sciences Tsinghua-Peking Joint Center for Life Sciences Beijing Advanced Innovation Center for Structural Biology School of Life Sciences Tsinghua University Beijing 100084 China Joint Graduate Program of Peking-Tsinghua-National Institute of Biological Science Tsinghua University Beijing 100084 China Ministry of Education Key Laboratory of Protein Sciences Tsinghua-Peking Joint Center for Life Sciences Beijing Advanced Innovation Center for Structural Biology School of Life Sciences Tsinghua University Beijing 100084 China National Institute of Biological Sciences Beijing 102206 China Joint Graduate Program of Peking-Tsinghua-National Institute of Biological Science Tsinghua University Beijing 100084 China MOE Key Laboratory of Bioinformatics Tsinghua-Peking Joint Center for Life Sciences Center for Synthetic and Systems Biology School of Life Sciences Tsinghua University Beijing 100084 China

The eukaryotic multi-subunit RNA exosome complex plays crucial roles in 3′-to-5′ RNA processing and decay. Rrp6 and Ski7 are the major cofactors for the nuclear and cytoplasmic exosomes, respectively. In the cytoplasm, Ski7 helps the exosome to target mRNAs for degradation and turnover via a through-core pathway. However, the interaction between Ski7 and the exosome complex has remained unclear. The transaction of RNA substrates within the exosome is also elusive. In this work, we used single-particle cryo-electron microscopy to solve the structures of the Ski7-exosome complex in RNA-free and RNA-bound forms at resolutions of 4.2 Å and 5.8 Å, respectively. These structures reveal that the N-terminal domain of Ski7 adopts a structural arrangement and interacts with the exosome in a similar fashion to the C-terminal domain of nuclear Rrp6. Further structural analysis of exosomes with RNA substrates harboring 3′ overhangs of different length suggests a switch mechanism of RNA-induced exosome activation in the through-core pathway of RNA processing.

关键词： exosome RNA decay Ski7 Rrp6 cryo-EM

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Ecological Show Cave and Wild Cave: Negative Binomial Gllvm’s Arthropod Community Modelling

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Procedia Computer Science 2018年 135卷 377-384页

作者： Rezzy Eko Caraka Shamarina Shohaimi Isma Dwi Kurniawan Riki Herliansyah Arif Budiarto Shinta Purnama Sari Bens Pardamean Bioinformatics and Data Science Research Center Bina Nusantara University Department of Statistics Padjadjaran University Indonesia Department of Biology UIN Sunan Gunung Djati Bandung Department of Mathematics Kalimantan Institute of Technology (ITK) Kalimantan Computer Science Department School of Computer Science Bina Nusantara University Jakarta Indonesia 11480 Computer Science Department BINUS Graduate Program – Master of Computer Science Bina Nusantara University Jakarta Indonesia 11480

Ecology is a branch of biology that studies the interaction and relationship between organisms and their environment. Abundance, distribution of organisms and patterns of biodiversity are great interests for many ecologists. One of interesting ecosystems to be studied is a cave. A cave has a typical environment character with a vulnerable ecosystem. Many caves in Indonesia, particularly in Gunungsewu karst area have been developed into tourist objects (show caves) and managed imprudently. Such cave management has potential to harm the environment and leads to ecosystem destruction. Arthropods are the most abundance fauna in cave that play critical roles in maintaining cave ecosystems equilibrium. In the heart of statistical ecology, we need to analyze the differences on Arthropods community and abiotic (climatic-edaphic) parameters among show caves and wild caves. Statistical techniques are needed for the extraction of such information. GLLVM is one method that is able to explain spatial-based information and is particularly suitable for ecology. In this paper, we use negative binomial models to see the differences on spatial patterns of predator and decomposer Arthropods, also characteristic of edaphic and climatic in each cave.

关键词： Ecology GLLVM Negative Binomial Show cave Wild Cave

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Evolution at the edge of expanding populations

arXiv

引用

arXiv 2017年

作者： Deforet, Maxime Carmona-Fontaine, Carlos Korolev, Kirill S. Xavier, Joao B. Sorbonne Université Centre National de la Recherche Rcientifique Laboratoire Jean Perrin LJP Paris75005 France Center for Genomics and Systems Biology Department of Biology New York University New York CityNY10003 United States Department of Physics Graduate Program in Bioinformatics Boston University BostonMA02215 Program in Computational Biology Memorial Sloan-Kettering Cancer Center New York CityNY10065 United States

Predicting evolution of expanding populations is critical to control biological threats such as invasive species and cancer metastasis. Expansion is primarily driven by reproduction and dispersal, but nature abounds with examples of evolution where organisms pay a reproductive cost to disperse faster. When does selection favor this 'survival of the fastest?' We searched for a simple rule, motivated by evolution experiments where swarming bacteria evolved into an hyperswarmer mutant which disperses ∼ 100% faster but pays a growth cost of ∼ 10% to make many copies of its flagellum. We analyzed a two-species model based on the Fisher equation to explain this observation: the population expansion rate (v) results from an interplay of growth (r) and dispersal (D) and is independent of the carrying capacity: v = 2 √rD. A mutant can take over the edge only if its expansion rate (v2) exceeds the expansion rate of the established species' (v1);this simple condition (v2> v1) determines the maximum cost in slower growth that a faster mutant can pay and still be able to take over. Numerical simulations and time-course experiments where we tracked evolution by imaging bacteria suggest that our findings are general: less favorable conditions delay but do not entirely prevent the success of the fastest. Thus, the expansion rate defines a traveling wave fitness, which could be combined with trade-offs to predict evolution of expanding populations. Copyright © 2017, The Authors. All rights reserved.

关键词： Bacteria

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Single-cell pair-wise relationships untangled by composite embedding model

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iScience 2023年第2期26卷 106025页

作者： Subedi, Sishir Park, Yongjin P. Bioinformatics Graduate Program University of British Columbia Vancouver BC Canada BC Cancer Research Part of Provincial Health Care Authority Vancouver BC Canada Department of Pathology and Laboratory Medicine University of British Columbia Vancouver BC Canada Department of Statistics University of British Columbia Vancouver BC Canada

In multicellular organisms, cell identity and functions are primed and refined through interactions with other surrounding cells. Here, we propose a scalable machine learning method, termed SPRUCE, which is designed to systematically ascertain common cell-cell communication patterns embedded in single-cell RNA-seq data. We applied our approach to investigate tumor microenvironments consolidating multiple breast cancer datasets and found seven frequently observed interaction signatures and underlying gene-gene interaction networks. Our results implicate that a part of tumor heterogeneity, especially within the same subtype, is better understood by differential interaction patterns rather than the static expression of known marker genes. © 2023 The Author(s)

关键词： Cancer systems biology Machine learning Transcriptomics

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Revised JNLPBA corpus: A revised version of biomedical NER corpus for relation extraction task

arXiv

引用

arXiv 2019年

作者： Huang, Ming-Siang Lai, Po-Ting Tsai, Richard Tzong-Han Hsu, Wen-Lian Bioinformatics Program Taiwan International Graduate Program Institute of Information Science Academia Sinica Taipei Taiwan Institute of Biomedical Informatics National Yang Ming University Taipei Taiwan Department of Computer Science National Tsing-Hua University Hsinchu Taiwan Intelligent Agent Systems Laboratory Institute of Information Science Academia Sinica Taipei Taiwan Intelligent Information Service Research Laboratory Department of Computer Science and Information Engineering National Central University Taoyuan Taiwan

The advancement of biomedical named entity recognition (BNER) and biomedical relation extraction (BRE) researches promotes the development of text mining in biological domains. As a cornerstone of BRE, robust BNER system is required to identify the mentioned NEs in plain texts for further relation extraction stage. However, the current BNER corpora, which play important roles in these tasks, paid less attention to achieve the criteria for BRE task. In this study, we present Revised JNLPBA corpus, the revision of JNLPBA corpus, to broaden the applicability of a NER corpus from BNER to BRE task. We preserve the original entity types including protein, DNA, RNA, cell line and cell type while all the abstracts in JNLPBA corpus are manually curated by domain experts again basis on the new annotation guideline focusing on the specific NEs instead of general terms. Simultaneously, several imperfection issues in JNLPBA are pointed out and made up in the new corpus. To compare the adaptability of different NER systems in Revised JNLPBA and JNLPBA corpora, the F1-measure was measured in three open sources NER systems including BANNER, Gimli and NERSuite. In the same circumstance, all the systems perform average 10% better in Revised JNLPBA than in JNLPBA. Moreover, the cross-validation test is carried out which we train the NER systems on JNLPBA/Revised JNLPBA corpora and access the performance in both protein-protein interaction extraction (PPIE) and biomedical event extraction (BEE) corpora to confirm that the newly refined Revised JNLPBA is a competent NER corpus in biomedical relation application. The revised JNLPBA corpus is freely available at ***/BNER/Content/Revised_***. Copyright © 2019, The Authors. All rights reserved.

关键词： Proteins

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BIVARIATE GENOME-WIDE ASSOCIATION STUDY OF ALZHEIMER DISEASE ENDOPHENOTYPES IDENTIFIES NOVEL LOCI

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Alzheimer's & Dementia 2014年第4期10卷 P316-P316页

作者： Jaeyoon Chung Lindsay A. Farrer Gyungah Jun Boston University Bioinformatics Graduate Program Boston Massachusetts United States Boston University School of Medicine Boston Massachusetts United States

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Decomposition of dynamic transcriptomic responses during effector-triggered immunity reveals conserved responses in two distinct plant cell populations

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Plant Communications 2024年第8期5卷 1-17页

作者： Xiaotong Liu Daisuke Igarashi Rachel A.Hillmer Thomas Stoddard You Lu Kenichi Tsuda Chad L.Myers Fumiaki Katagiri Department of Plant and Microbial Biology University of Minnesota-Twin CitiesSt PaulMN 55108USA Department of Computer Science and Engineering University of Minnesota-Twin CitiesMinneapolisMN 55455USA Bioinformatics and Computational Biology Graduate Program University of Minnesota-Twin CitiesMinneapolisMN 55455USA Institute for Innovation Ajinomoto Co.Inc.KawasakiJapan State Key Laboratory of Agricultural Microbiology Hubei Hongshan LaboratoryHubei Key Lab of Plant PathologyCollege of Plant Science and TechnologyHuazhong Agricultural UniversityWuhan 430070China Present address:225 S 6th St MinneapolisMN 55402USA Present address:Biotalys Inc.2520 Meridian Parkway Suite 480DurhamNC 27713USA Present address:Life Sciences Institute and Department of Cell and Developmental Biology University of Michigan Medical SchoolAnn ArborMI 48109USA

Rapid plant immune responses in the appropriate cells are needed for effective defense against *** transcriptome analysis is often used to describe overall immune responses,collection of transcriptome data with sufficient resolution in both space and time is *** reanalyzed public Arabidopsis time-course transcriptome data obtained after low-dose inoculation with a Pseudomonas syringae strain expressing the effector AvrRpt2,which induces effector-triggered immunity in ***-peak time-course patterns are prevalent among thousands of upregulated *** implemented a multicompartment modeling approach to decompose the double-peak pattern into two single-peak patterns for each *** decomposed peaks reveal an“echoing”pattern:the peak times of the first and second peaks correlate well across most upregulated *** demonstrated that the two peaks likely represent responses of two distinct cell populations that respond either cell autonomously or indirectly to ***,the peak decomposition has extracted spatial information from the time-course *** echoing pattern also indicates a conserved transcriptome response with different initiation times between the two cell populations despite different elicitor types.A gene set highly overlapping with the conserved gene set is also upregulated with similar kinetics during pattern-triggered *** of a WRKY network via different entry-point WRKYs can explain the similar but not identical transcriptome responses elicited by different elicitor *** discuss potential benefits of the properties of the WRKY activation network as an immune signaling network in light of pressure from rapidly evolving pathogens.

关键词： Arabidopsis Pseudomonas syringae plant immune response multi-compartment model WRKY transcription factors resilient immune signaling network

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Study on the immobilization of Ni-NTA and NTA on PMMA substrate base

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Key Engineering Materials 2008年 381-382卷 357-360页

作者： Chong, W.S. Kim, G.B. Hong, C.U. Department of Biomedical Engineering Graduate School Chonbuk National University Duckjin-Dong Jeonju Jeonbuk 561-756 Korea Republic of Education Program for 21st Century Chonbuk National University Research Institute of Clinical Medicine Duckjin-Dong Jeonju Jeonbuk 561-756 Korea Republic of Division of Bionics and Bioinformatics Collage of Engineering Chonbuk National University Duckjin-Dong Jeonju Jeonbuk 561-756 Korea Republic of

In this study, we attempts to develop a sensing method to detect mismatched DNA in order to diagnose cancer. The sensing method will be developed to use for early diagnosis of cancer. Thus, protein immobilization was applied on the surface of the sensor in order to facilitate the detection of mismatched DNA. This method was designed to achieve the Ni-His-Tag to selectively bond with MutS, which has a covalent bond with the His-Tag, by using Ni-NTA. This method is troublesome because it involves a number of repeated composition processes. This method need gold surface to immobilize NTA (nitrotriamino acid). But this process is very complicated and expensive cost. Therefore, we try to immobilize NTA using PMMA (poly methyl methacrylate) polymer in this research to improve this method. In this study revealed that we could directly immobilize the NTA to the PMMA substrate not used Gold substrate. Also, we could directly immobilize the MutS to the NTA using the EDC solution. In addition, we can expect that the mismatched DNA can be detected from the results.

关键词： Proteins

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